DeepAIPs-SFLA:基于SFLA方法的新型多视图描述符二值模式分解的深度卷积抗炎肽预测模型

IF 4.3 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
ACS Omega Pub Date : 2025-08-05 DOI:10.1021/acsomega.5c02422
Shahid Akbar, Ali Raza, Wajdi Alghamdi, Aamir Saeed, Hashim Ali and Quan Zou*, 
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引用次数: 0

摘要

炎症是人体免疫系统对有害刺激的重要生物反应,在组织修复和病原体消除中起着重要作用。然而,慢性炎症会导致严重的疾病,如关节炎、癌症、心血管疾病和自身免疫性疾病。抗炎肽(AIPs)由于其高选择性、对靶细胞的效力和最小的副作用而成为一种有前景的治疗药物。尽管存在许多用于预测AIP样本的计算预测器,但大多数依赖于传统的成分特征,这些特征无法捕获内部序列顺序、局部结构变化和进化信息来确定肽功能。为了解决这些问题,我们提出了DeepAIPs-SFLA,这是一种新的基于深度学习的计算模型,它使用先进的基于图像的编码集成了进化信息和结构特征。利用RECM和PSSM嵌入将训练序列转换为二维结构和进化图像。利用LBP和CLBP算法对这些图像进行进一步分解,得到了新的局部纹理描述符:RECM_CLBP、PSSM_CLBP和RECM_LBP。采用基于差分进化的特征集成方法构建综合多视图特征向量。在此基础上,提出了一种基于改进遗传算法的洗刷蛙跳算法(SFLA)进行特征选择。利用最优特征集训练深度残差卷积神经网络(RCNN)。我们开发的DeepAIPs-SFLA模型使用训练序列获得了97.04%的出色预测准确率,AUC为0.98。该模型通过独立集进行验证,以检验其泛化能力,与Ind-426和Ind-1049数据集上的可用预测器相比,准确率分别提高了13%和2%。DeepAIPs-SFLA的稳健性和有效性代表了它作为推进炎症性疾病的学术研究和药物发现的有价值模型的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
DeepAIPs-SFLA: Deep Convolutional Model for Prediction of Anti-Inflammatory Peptides Using Binary Pattern Decomposition of Novel Multiview Descriptors with an SFLA Approach

Inflammation is a vital biological response of the human immune system to harmful stimuli, and it plays a vital role in tissue repair and pathogen elimination. However, chronic inflammation can lead to severe diseases such as arthritis, cancer, cardiovascular disorders, and autoimmune conditions. Anti-inflammatory peptides (AIPs) have emerged as promising therapeutic agents owing to their high selectivity, potency toward target cells, and minimal side effects. Although numerous computational predictors exist for predicting AIP samples, most rely on traditional compositional features that fail to capture internal sequence ordering, local structural variations, and evolutionary information to determine peptide functionality. To address these problems, we propose DeepAIPs-SFLA, a novel deep learning-based computational model that integrates evolutionary information and structural features using advanced image-based encoding. The training sequences were transformed into two-dimensional structural and evolutionary images using RECM and PSSM embeddings. These images were further decomposed using LBP and CLBP algorithms, resulting in novel local texture descriptors: RECM_CLBP, PSSM_CLBP, and RECM_LBP. A differential evolution-based feature integration method was employed to construct a comprehensive multiview feature vector. Subsequently, an enhanced genetic algorithm-based shuffled frog-leaping algorithm (SFLA) was applied for optimal feature selection. An optimal feature set was used to train a deep residual convolutional neural network (RCNN). Our developed DeepAIPs-SFLA model attained an outstanding predictive accuracy of 97.04% with an AUC of 0.98 using the training sequences. The model was validated via independent sets to examine its generalization power, demonstrating substantial enhancements of 13 and 2% in accuracy compared with available predictors on the Ind-426 and Ind-1049 data sets, respectively. The robustness and efficacy of DeepAIPs-SFLA represent its potential as a valuable model for advancing academic research and drug discovery for inflammatory diseases.

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来源期刊
ACS Omega
ACS Omega Chemical Engineering-General Chemical Engineering
CiteScore
6.60
自引率
4.90%
发文量
3945
审稿时长
2.4 months
期刊介绍: ACS Omega is an open-access global publication for scientific articles that describe new findings in chemistry and interfacing areas of science, without any perceived evaluation of immediate impact.
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